CID 24229785

900799-69-1

Structural Information

Molecular Formula
C15H13NO5
SMILES
C1=CC=C(C=C1)COC(=O)NC2=CC(=CC(=C2)C(=O)O)O
InChI
InChI=1S/C15H13NO5/c17-13-7-11(14(18)19)6-12(8-13)16-15(20)21-9-10-4-2-1-3-5-10/h1-8,17H,9H2,(H,16,20)(H,18,19)
InChIKey
DIPYTSQSLOJNFI-UHFFFAOYSA-N
Compound name
3-hydroxy-5-(phenylmethoxycarbonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

287.07938 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08666 164.2
[M+Na]+ 310.06860 175.3
[M+NH4]+ 305.11320 169.8
[M+K]+ 326.04254 170.9
[M-H]- 286.07210 166.2
[M+Na-2H]- 308.05405 170.5
[M]+ 287.07883 166.0
[M]- 287.07993 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe